SCHEMBL3263702

SCHEMBL3263702

CC(C)Oc1nn(C)cc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 1/20 0.38
CSNK1D P48730 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
BRD4 O60885 1/20 0.37
PDE4D Q08499 1/20 0.36
PDE7A Q13946 1/20 0.36
POLB P06746 1/20 0.36
SCN9A Q15858 2/20 0.36
TGFBR1 P36897 1/20 0.35
S1PR1 P21453 1/20 0.35
BRAF P15056 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14996664 0.74 POLB (0.54) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL3262693 0.72 ATM (0.42) ATMCNR1CNR2MAP4K4PDE4D
SCHEMBL12859255 0.71 MAPK13 (0.41) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL12871764 0.70 KCNH2 (0.41) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL17437098 0.69 POLB (0.51) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL5258392 0.69 MAPK13 (0.74) MAPK14MAPK13CSNK1DCSNK1EMAPK12
SCHEMBL24752005 0.68 ADORA2A (0.33) ADORA2AADORA1MAPT
SCHEMBL25731600 0.68 TGFBR1 (0.54) ATMMAPK14TGFBR1ADORA3ADORA2A
SCHEMBL19207144 0.68 SMN1; SMN2 (0.47) CSNK1DCSNK1EPDE7ABRAFNPC1
SCHEMBL21051591 0.67 ESR2 (0.41) MAPK14MAPK13CSNK1DCSNK1EMAPK12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed